SCHEMBL8977863

SCHEMBL8977863

CC(C)(c1ccc(N)cc1)c1ccc(C(C)(C)c2ccc(N)cc2)cc1.CC(C)(c1ccc(N)cc1)c1cccc(C(C)(C)c2ccc(N)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.63
ESR2 Q92731 3/20 0.63
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 3/20 0.45
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
TSHR P16473 2/20 0.41
AR P10275 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL137216 1.00 ESR1 (0.63) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL4738363 0.94 ESR1 (0.57) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL22023062 0.94 ESR1 (0.57) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL16451468 0.92 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL13385785 0.91 ESR1 (0.53) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL127692 0.91 ESR1 (0.53) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL136764 0.91 ESR1 (0.53) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL202668 0.89 ALDH1A1 (0.61) ESR1ESR2ALDH1A1CYP3A4MAPT
Putrescine SCHEMBL702298 0.89 ESR1 (0.52) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL10631366 0.88 ALDH1A1 (0.46) ESR1ESR2ALDH1A1CYP3A4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626239-B2 Polymer aerogel with improved mechanical and thermal properties Blueshift Materials, Inc. (US) 2020-04-21 US claimed
EP-0709736-A1 Positive chemically amplified resist composition and method for producing compounds used therein FUJI PHOTO FILM CO., LTD. (JP) 1996-05-01 EP disclosed